1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
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![1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5bea4ae5ddd64036b83fc244c44c5b42.png "1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate")
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
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CAS No:
165315-27-5
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Formula:
C39H52N6O5S2
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Chemical Name:
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
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Synonyms:
165315-27-5;2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-((2-(1-methylethyl)-4-thiazolyl)methyl)-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, (3S-(3R*,4R*,6R*,9R*))-;2,7,10,12-Tetraazapentadecanoic acid, 4-hydroxy-9-(1-methylethyl)-12-[[2-(1-methylethyl)-4-thiazolyl]methyl]-8,11-dioxo-3,6-bis(phenylmethyl)-, 5-thiazolylmethyl ester, [3S-(3R*,4R*,6R*,9R*)]-;SCHEMBL7186108;DTXSID20167922;1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate;thiazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropylthiazol-4-yl)methyl-propyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
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CAS No:
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[(2-propan-2-yl-1,3-thiazol-4-yl)methyl-propylcarbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate Basic Attributes
749.0 g/mol
748.34406113 g/mol
DTXSID20167922
Computed Properties
Molecular Weight:749.0
XLogP3:6.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:20
Exact Mass:748.34406113
Monoisotopic Mass:748.34406113
Topological Polar Surface Area:202
Heavy Atom Count:52
Complexity:1080
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,3-thiazol-5-ylmethyl N-[(2S,3S)-4-[benzyl-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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